Geometry & MOs

Info

ID:

313364

PubChem CID:

126614107

Reduced:

NOS3H19C28 (1)

Stoich.:

ABC3D19E28 (1)

Weight, g/mol:

639.326813

ΔHf, kcal/mol:

89.19

Dipole, Da:

1.64

IP(EA), eV:

 -8.23(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-1-[(2S)-2-[[(2S)-2-[[(E)-4-[2-[(1R)-1-acetyloxyethyl]quinolin-7-yl]-2,2-dimethylbut-3-enoyl]amino]-3-methylbutanoyl]amino]-3-methoxypropanoyl]diazinane-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=CC3=C(C=C2)C4=C(O3)C=C5C6=C(C=C(C=C6)C7=CC=C(S7)NC)SC5=C4

DOS

IR

Vibrations