Geometry & MOs

Info

ID:

168190

PubChem CID:

74935210

Reduced:

N2O4H18C19 (1)

Stoich.:

A2B4C18D19 (1)

Weight, g/mol:

598.325416

ΔHf, kcal/mol:

-86.19

Dipole, Da:

3.42

IP(EA), eV:

 -8.94(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[5-(cyclopropylmethyl)-16-(2-hydroxy-3,3-dimethylbutan-2-yl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-yl]oxycarbonylamino]-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

CN1C(=C(C2=C1C(=O)C=C(C2=O)NC3=CC=CC=C3)CO)C=CCO

DOS

IR

Vibrations