Geometry & MOs

Info

ID:

418693

PubChem CID:

135106574

Reduced:

N2C8H11 (2)

Stoich.:

A2B8C11 (2)

Weight, g/mol:

691.315203

ΔHf, kcal/mol:

50.19

Dipole, Da:

2.35

IP(EA), eV:

 -8.43(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-15-[(3-hydroxyphenyl)methyl]-4,10,12-trimethyl-7-propan-2-yl-21-thia-3,6,9,12,15,18,23-heptazabicyclo[18.2.1]tricosa-1(22),20(23)-diene-2,5,8,11,17-pentone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CCCNC2=NC=CN=C2N(C)C

DOS

IR

Vibrations