Geometry & MOs

Info

ID:

185189

PubChem CID:

77267814

Reduced:

N6O7C18H33 (2)

Stoich.:

A6B7C18D33 (2)

Weight, g/mol:

650.308242

ΔHf, kcal/mol:

-691.21

Dipole, Da:

8.72

IP(EA), eV:

 -9.82(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[7-chloro-4-(4-methoxybutyl)-2-methyl-2-[methyl(oxan-4-ylmethyl)carbamoyl]-3-oxo-1,4-benzoxazine-6-carbonyl]-propan-2-ylamino]piperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1CC(=O)NC(N1)NC(=O)NCCCCCCNC(=O)OCCNC(=O)C(C(C(C(C(=O)NCCN(CCCCCCNC(=O)NC2NC(CC(=O)N2)C)C(=O)O)O)O)O)O

DOS

IR

Vibrations